6-[(4-nitrophenyl)methyl]-1,8-bis(phenylmethyl)-1,4,8,11-tetrazacyclotetradecane

Systemtic Name: 6-[(4-nitrophenyl)methyl]-1,8-bis(phenylmethyl)-1,4,8,11-tetrazacyclotetradecane Openeye Name: 1,8-dibenzyl-6-[(4-nitrophenyl)methyl]-1,4,8,11-tetrazacyclotetradecane CAS Name: 6-[(4-nitrophenyl)methyl]-1,8-bis(phenylmethyl)-1,4,8,11-tetrazacyclotetradecane IUPAC Name: 1,8-dibenzyl-6-[(4-nitrophenyl)methyl]-1,4,8,11-tetrazacyclotetradecane Traditional Name: 1,8-dibenzyl-6-(4-nitrobenzyl)-1,4,8,11-tetrazacyclotetradecane Formula: C31H41N5O2 MolecularWeight: 515.68954

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(CC(CNCCN(C1)CC2=CC=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CNCCN(CC(CNCCN(C1)CC2=CC=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C31H41N5O2/c37-36(38)31-14-12-27(13-15-31)22-30-23-33-18-20-34(24-28-8-3-1-4-9-28)19-7-16-32-17-21-35(26-30)25-29-10-5-2-6-11-29/h1-6,8-15,30,32-33H,7,16-26H2